Glycoside
...
GD118808

Name:
3-{[3-ethenyl-4-(2-hydroxy-2-methoxyethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carbonyloxy]methyl}-4-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-methylcyclopentyl 3-ethenyl-4-(2-hydroxy-2-methoxyethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

Formula:
C45H68O25

Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C(C=C)C3CC(O)OC)CC2C(CO)C(=O)OC)C1CC(O)OC

Aglycone:
C=CC1C(O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C(C=C)C3CC(O)OC)CC2C(CO)C(=O)OC)C1CC(O)OC

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 11 FractionCSP3: 0.76
AlogP: -3.84 Num_rotatable_bonds: 22
MolWt: 1009.01 Num_heavy_atoms: 70
TPSA: 375.27 NumAromaticRings: 0

Unique Aglycone
AD47535
Formula: C33H48O15

Smiles:
C=CC1C(O)OC=C(C(=O)OCC2C(C)C(OC(=O)C3=COC(O)C(C=C)C3CC(O)OC)CC2C(CO)C(=O)OC)C1CC(O)OC
HBA: 15 RingCount: 3
HBD: 5 FractionCSP3: 0.67
AlogP: 0.51 Num_rotatable_bonds: 16
MolWt: 684.73 Num_heavy_atoms: 48
TPSA: 216.97 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O